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print is more appropriate than write

This commit is contained in:
Martin Diehl 2020-09-19 08:20:29 +02:00
parent 4a913c83e5
commit cc92b0ad84
16 changed files with 124 additions and 140 deletions
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4
src/DAMASK_interface.f90
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@ -101,8 +101,8 @@ subroutine DAMASK_interface_init
#endif #endif
print*, achar(27)//'[0m' print*, achar(27)//'[0m'
print'(a)', ' Roters et al., Computational Materials Science 158:420–478, 2019' print*, 'Roters et al., Computational Materials Science 158:420–478, 2019'
print'(a)', ' https://doi.org/10.1016/j.commatsci.2018.04.030' print*, 'https://doi.org/10.1016/j.commatsci.2018.04.030'
print'(/,a)', ' Version: '//DAMASKVERSION print'(/,a)', ' Version: '//DAMASKVERSION

2
src/constitutive_plastic_nonlocal.f90
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@ -199,7 +199,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
print*, 'https://doi.org/10.1016/j.actamat.2014.03.012'//IO_EOL print*, 'https://doi.org/10.1016/j.actamat.2014.03.012'//IO_EOL
print*, 'Kords, Dissertation RWTH Aachen, 2014' print*, 'Kords, Dissertation RWTH Aachen, 2014'
print*, 'http://publications.rwth-aachen.de/record/229993'//IO_EOL print*, 'http://publications.rwth-aachen.de/record/229993'
allocate(param(Ninstance)) allocate(param(Ninstance))
allocate(state(Ninstance)) allocate(state(Ninstance))

40
src/grid/DAMASK_grid.f90
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@ -99,10 +99,10 @@ program DAMASK_grid
! init DAMASK (all modules) ! init DAMASK (all modules)
call CPFEM_initAll call CPFEM_initAll
write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>'; flush(6) print'(/,a)', ' <<<+- DAMASK_spectral init -+>>>'; flush(6)
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019' print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80' print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize field solver information ! initialize field solver information
@ -263,19 +263,19 @@ program DAMASK_grid
reportAndCheck: if (worldrank == 0) then reportAndCheck: if (worldrank == 0) then
write (loadcase_string, '(i0)' ) currentLoadCase write (loadcase_string, '(i0)' ) currentLoadCase
write(6,'(/,1x,a,i0)') 'load case: ', currentLoadCase print'(/,a,i0)', ' load case: ', currentLoadCase
if (.not. newLoadCase%followFormerTrajectory) & if (.not. newLoadCase%followFormerTrajectory) &
write(6,'(2x,a)') 'drop guessing along trajectory' print*, ' drop guessing along trajectory'
if (newLoadCase%deformation%myType == 'l') then if (newLoadCase%deformation%myType == 'l') then
do j = 1, 3 do j = 1, 3
if (any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .true.) .and. & if (any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .true.) .and. &
any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined
enddo enddo
write(6,'(2x,a)') 'velocity gradient:' print*, ' velocity gradient:'
else if (newLoadCase%deformation%myType == 'f') then else if (newLoadCase%deformation%myType == 'f') then
write(6,'(2x,a)') 'deformation gradient at end of load case:' print*, ' deformation gradient at end of load case:'
else else
write(6,'(2x,a)') 'deformation gradient rate:' print*, ' deformation gradient rate:'
endif endif
do i = 1, 3; do j = 1, 3 do i = 1, 3; do j = 1, 3
if(newLoadCase%deformation%maskLogical(i,j)) then if(newLoadCase%deformation%maskLogical(i,j)) then
@ -289,7 +289,7 @@ program DAMASK_grid
newLoadCase%deformation%maskLogical)) errorID = 831 ! exclusive or masking only newLoadCase%deformation%maskLogical)) errorID = 831 ! exclusive or masking only
if (any(newLoadCase%stress%maskLogical .and. transpose(newLoadCase%stress%maskLogical) & if (any(newLoadCase%stress%maskLogical .and. transpose(newLoadCase%stress%maskLogical) &
.and. (math_I3<1))) errorID = 838 ! no rotation is allowed by stress BC .and. (math_I3<1))) errorID = 838 ! no rotation is allowed by stress BC
write(6,'(2x,a)') 'stress / GPa:' print*, ' stress / GPa:'
do i = 1, 3; do j = 1, 3 do i = 1, 3; do j = 1, 3
if(newLoadCase%stress%maskLogical(i,j)) then if(newLoadCase%stress%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal write(6,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal
@ -305,14 +305,14 @@ program DAMASK_grid
write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',& write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
transpose(newLoadCase%rot%asMatrix()) transpose(newLoadCase%rot%asMatrix())
if (newLoadCase%time < 0.0_pReal) errorID = 834 ! negative time increment if (newLoadCase%time < 0.0_pReal) errorID = 834 ! negative time increment
write(6,'(2x,a,f0.3)') 'time: ', newLoadCase%time print'(a,f0.3)', ' time: ', newLoadCase%time
if (newLoadCase%incs < 1) errorID = 835 ! non-positive incs count if (newLoadCase%incs < 1) errorID = 835 ! non-positive incs count
write(6,'(2x,a,i0)') 'increments: ', newLoadCase%incs print'(a,i0)', ' increments: ', newLoadCase%incs
if (newLoadCase%outputfrequency < 1) errorID = 836 ! non-positive result frequency if (newLoadCase%outputfrequency < 1) errorID = 836 ! non-positive result frequency
write(6,'(2x,a,i0)') 'output frequency: ', newLoadCase%outputfrequency print'(a,i0)', ' output frequency: ', newLoadCase%outputfrequency
if (newLoadCase%restartfrequency < 1) errorID = 839 ! non-positive restart frequency if (newLoadCase%restartfrequency < 1) errorID = 839 ! non-positive restart frequency
if (newLoadCase%restartfrequency < huge(0)) & if (newLoadCase%restartfrequency < huge(0)) &
write(6,'(2x,a,i0)') 'restart frequency: ', newLoadCase%restartfrequency print'(a,i0)', ' restart frequency: ', newLoadCase%restartfrequency
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
endif reportAndCheck endif reportAndCheck
loadCases = [loadCases,newLoadCase] ! load case is ok, append it loadCases = [loadCases,newLoadCase] ! load case is ok, append it
@ -397,8 +397,8 @@ program DAMASK_grid
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report begin of new step ! report begin of new step
write(6,'(/,a)') ' ###########################################################################' print'(/,a)', ' ###########################################################################'
write(6,'(1x,a,es12.5,6(a,i0))') & print'(1x,a,es12.5,6(a,i0))', &
'Time', time, & 'Time', time, &
's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,& 's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,&
'-', stepFraction,'/',subStepFactor**cutBackLevel,& '-', stepFraction,'/',subStepFactor**cutBackLevel,&
@ -475,7 +475,7 @@ program DAMASK_grid
cutBackLevel = cutBackLevel + 1 cutBackLevel = cutBackLevel + 1
time = time - timeinc ! rewind time time = time - timeinc ! rewind time
timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep
write(6,'(/,a)') ' cutting back ' print'(/,a)', ' cutting back '
else ! no more options to continue else ! no more options to continue
call IO_warning(850) call IO_warning(850)
if (worldrank == 0) close(statUnit) if (worldrank == 0) close(statUnit)
@ -487,13 +487,13 @@ program DAMASK_grid
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
if (all(solres(:)%converged)) then if (all(solres(:)%converged)) then
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' converged' print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' converged'
else else
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' NOT converged' print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6) endif; flush(6)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
write(6,'(1/,a)') ' ... writing results to file ......................................' print'(1/,a)', ' ... writing results to file ......................................'
flush(6) flush(6)
call CPFEM_results(totalIncsCounter,time) call CPFEM_results(totalIncsCounter,time)
endif endif
@ -510,7 +510,7 @@ program DAMASK_grid
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report summary of whole calculation ! report summary of whole calculation
write(6,'(/,a)') ' ###########################################################################' print'(/,a)', ' ###########################################################################'
if (worldrank == 0) close(statUnit) if (worldrank == 0) close(statUnit)
call quit(0) ! no complains ;) call quit(0) ! no complains ;)

2
src/grid/discretization_grid.f90
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@ -65,7 +65,7 @@ subroutine discretization_grid_init(restart)
integer(C_INTPTR_T) :: & integer(C_INTPTR_T) :: &
devNull, z, z_offset devNull, z, z_offset
write(6,'(/,a)') ' <<<+- discretization_grid init -+>>>'; flush(6) print'(/,a)', ' <<<+- discretization_grid init -+>>>'; flush(6)
if(index(interface_geomFile,'.vtr') /= 0) then if(index(interface_geomFile,'.vtr') /= 0) then
call readVTR(grid,geomSize,origin,microstructureAt) call readVTR(grid,geomSize,origin,microstructureAt)

38
src/grid/grid_damage_spectral.f90
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@ -22,42 +22,38 @@ module grid_damage_spectral
implicit none implicit none
private private
type, private :: tNumerics type :: tNumerics
integer :: & integer :: &
itmax !< max number of iterations itmax !< maximum number of iterations
real(pReal) :: & real(pReal) :: &
residualStiffness, & !< non-zero residual damage residualStiffness, & !< non-zero residual damage
eps_damage_atol, & !< absolute tolerance for damage evolution eps_damage_atol, & !< absolute tolerance for damage evolution
eps_damage_rtol !< relative tolerance for damage evolution eps_damage_rtol !< relative tolerance for damage evolution
end type tNumerics end type tNumerics
type(tNumerics), private :: num type(tNumerics) :: num
!--------------------------------------------------------------------------------------------------
! derived types
type(tSolutionParams), private :: params
type(tSolutionParams) :: params
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc data ! PETSc data
SNES, private :: damage_snes SNES :: damage_snes
Vec, private :: solution_vec Vec :: solution_vec
PetscInt, private :: xstart, xend, ystart, yend, zstart, zend PetscInt :: xstart, xend, ystart, yend, zstart, zend
real(pReal), private, dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
phi_current, & !< field of current damage phi_current, & !< field of current damage
phi_lastInc, & !< field of previous damage phi_lastInc, & !< field of previous damage
phi_stagInc !< field of staggered damage phi_stagInc !< field of staggered damage
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! reference diffusion tensor, mobility etc. ! reference diffusion tensor, mobility etc.
integer, private :: totalIter = 0 !< total iteration in current increment integer :: totalIter = 0 !< total iteration in current increment
real(pReal), dimension(3,3), private :: K_ref real(pReal), dimension(3,3) :: K_ref
real(pReal), private :: mu_ref real(pReal) :: mu_ref
public :: & public :: &
grid_damage_spectral_init, & grid_damage_spectral_init, &
grid_damage_spectral_solution, & grid_damage_spectral_solution, &
grid_damage_spectral_forward grid_damage_spectral_forward
private :: &
formResidual
contains contains
@ -77,10 +73,10 @@ subroutine grid_damage_spectral_init
character(len=pStringLen) :: & character(len=pStringLen) :: &
snes_type snes_type
write(6,'(/,a)') ' <<<+- grid_spectral_damage init -+>>>' print'(/,a)', ' <<<+- grid_spectral_damage init -+>>>'
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019' print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80' print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks ! read numerical parameters and do sanity checks
@ -152,8 +148,6 @@ subroutine grid_damage_spectral_init
allocate(phi_stagInc(grid(1),grid(2),grid3), source=1.0_pReal) allocate(phi_stagInc(grid(1),grid(2),grid3), source=1.0_pReal)
call VecSet(solution_vec,1.0_pReal,ierr); CHKERRQ(ierr) call VecSet(solution_vec,1.0_pReal,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! damage reference diffusion update
call updateReference call updateReference
end subroutine grid_damage_spectral_init end subroutine grid_damage_spectral_init
@ -210,10 +204,10 @@ function grid_damage_spectral_solution(timeinc,timeinc_old) result(solution)
call VecMin(solution_vec,devNull,phi_min,ierr); CHKERRQ(ierr) call VecMin(solution_vec,devNull,phi_min,ierr); CHKERRQ(ierr)
call VecMax(solution_vec,devNull,phi_max,ierr); CHKERRQ(ierr) call VecMax(solution_vec,devNull,phi_max,ierr); CHKERRQ(ierr)
if (solution%converged) & if (solution%converged) &
write(6,'(/,a)') ' ... nonlocal damage converged .....................................' print'(/,a)', ' ... nonlocal damage converged .....................................'
write(6,'(/,a,f8.6,2x,f8.6,2x,e11.4,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',& write(6,'(/,a,f8.6,2x,f8.6,2x,e11.4,/)',advance='no') ' Minimum|Maximum|Delta Damage = ',&
phi_min, phi_max, stagNorm phi_min, phi_max, stagNorm
write(6,'(/,a)') ' ===========================================================================' print'(/,a)', ' ==========================================================================='
flush(6) flush(6)
end function grid_damage_spectral_solution end function grid_damage_spectral_solution

29
src/grid/grid_mech_FEM.f90
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@ -122,7 +122,7 @@ subroutine grid_mech_FEM_init
PetscScalar, pointer, dimension(:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:) :: &
u_current,u_lastInc u_current,u_lastInc
write(6,'(/,a)') ' <<<+- grid_mech_FEM init -+>>>'; flush(6) print'(/,a)', ' <<<+- grid_mech_FEM init -+>>>'; flush(6)
!----------------------------------------------------------------------------------------------- !-----------------------------------------------------------------------------------------------
! debugging options ! debugging options
@ -130,13 +130,12 @@ subroutine grid_mech_FEM_init
debugRotation = debug_grid%contains('rotation') debugRotation = debug_grid%contains('rotation')
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! read numerical parameter and do sanity checks ! read numerical parameters and do sanity checks
num_grid => config_numerics%get('grid',defaultVal=emptyDict) num_grid => config_numerics%get('grid',defaultVal=emptyDict)
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal) num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal) num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
num%eps_stress_atol = num_grid%get_asFloat ('eps_stress_atol', defaultVal=1.0e3_pReal) num%eps_stress_atol = num_grid%get_asFloat ('eps_stress_atol', defaultVal=1.0e3_pReal)
num%eps_stress_rtol = num_grid%get_asFloat ('eps_stress_rtol', defaultVal=0.01_pReal) num%eps_stress_rtol = num_grid%get_asFloat ('eps_stress_rtol', defaultVal=0.01_pReal)
num%itmin = num_grid%get_asInt ('itmin',defaultVal=1) num%itmin = num_grid%get_asInt ('itmin',defaultVal=1)
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250) num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
@ -225,7 +224,7 @@ subroutine grid_mech_FEM_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init fields ! init fields
restartRead: if (interface_restartInc > 0) then restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file' print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5' write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName) fileHandle = HDF5_openFile(fileName)
@ -254,7 +253,7 @@ subroutine grid_mech_FEM_init
CHKERRQ(ierr) CHKERRQ(ierr)
restartRead2: if (interface_restartInc > 0) then restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file' print'(a,i0,a)', ' reading more restart data of increment ', interface_restartInc, ' from file'
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg') call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc') call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
@ -304,11 +303,11 @@ function grid_mech_FEM_solution(incInfoIn,timeinc,timeinc_old,stress_BC,rotation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! solve BVP ! solve BVP
call SNESsolve(mech_snes,PETSC_NULL_VEC,solution_current,ierr);CHKERRQ(ierr) call SNESsolve(mech_snes,PETSC_NULL_VEC,solution_current,ierr); CHKERRQ(ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! check convergence ! check convergence
call SNESGetConvergedReason(mech_snes,reason,ierr);CHKERRQ(ierr) call SNESGetConvergedReason(mech_snes,reason,ierr); CHKERRQ(ierr)
solution%converged = reason > 0 solution%converged = reason > 0
solution%iterationsNeeded = totalIter solution%iterationsNeeded = totalIter
@ -353,7 +352,7 @@ subroutine grid_mech_FEM_forward(cutBack,guess,timeinc,timeinc_old,loadCaseTime,
F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess) F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
F_aim_lastInc = F_aim F_aim_lastInc = F_aim
!-------------------------------------------------------------------------------------------------- !-----------------------------------------------------------------------------------------------
! calculate rate for aim ! calculate rate for aim
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
F_aimDot = & F_aimDot = &
@ -414,7 +413,7 @@ subroutine grid_mech_FEM_restartWrite
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
write(6,'(a)') ' writing solver data required for restart to file'; flush(6) print*, 'writing solver data required for restart to file'; flush(6)
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5' write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'w') fileHandle = HDF5_openFile(fileName,'w')
@ -476,12 +475,12 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,fnorm,reason,dummy,i
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report ! report
write(6,'(1/,a)') ' ... reporting .............................................................' print'(1/,a)', ' ... reporting .............................................................'
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', & print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')' err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', & print'(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')' err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
write(6,'(/,a)') ' ===========================================================================' print'(/,a)', ' ==========================================================================='
flush(6) flush(6)
end subroutine converged end subroutine converged
@ -516,7 +515,7 @@ subroutine formResidual(da_local,x_local, &
! begin of new iteration ! begin of new iteration
newIteration: if (totalIter <= PETScIter) then newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1 totalIter = totalIter + 1
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter+1, '≤', num%itmax print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter+1, '≤', num%itmax
if (debugRotation) & if (debugRotation) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.)) ' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
@ -541,7 +540,7 @@ subroutine formResidual(da_local,x_local, &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! evaluate constitutive response ! evaluate constitutive response
call Utilities_constitutiveResponse(P_current,& call utilities_constitutiveResponse(P_current,&
P_av,C_volAvg,devNull, & P_av,C_volAvg,devNull, &
F,params%timeinc,params%rotation_BC) F,params%timeinc,params%rotation_BC)
call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)

30
src/grid/grid_mech_spectral_basic.f90
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@ -42,8 +42,7 @@ module grid_mech_spectral_basic
type(tNumerics) :: num ! numerics parameters. Better name? type(tNumerics) :: num ! numerics parameters. Better name?
logical, private:: & logical, private :: debugRotation
debugRotation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc data ! PETSc data
@ -110,13 +109,13 @@ subroutine grid_mech_spectral_basic_init
character(len=pStringLen) :: & character(len=pStringLen) :: &
fileName fileName
write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(6) print'(/,a)', ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(6)
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013' print*, 'Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012' print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015' print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006' print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! debugging options ! debugging options
@ -132,7 +131,6 @@ subroutine grid_mech_spectral_basic_init
num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal) num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
num%eps_stress_atol = num_grid%get_asFloat ('eps_stress_atol',defaultVal=1.0e3_pReal) num%eps_stress_atol = num_grid%get_asFloat ('eps_stress_atol',defaultVal=1.0e3_pReal)
num%eps_stress_rtol = num_grid%get_asFloat ('eps_stress_rtol',defaultVal=0.01_pReal) num%eps_stress_rtol = num_grid%get_asFloat ('eps_stress_rtol',defaultVal=0.01_pReal)
num%itmin = num_grid%get_asInt ('itmin',defaultVal=1) num%itmin = num_grid%get_asInt ('itmin',defaultVal=1)
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250) num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
@ -186,7 +184,7 @@ subroutine grid_mech_spectral_basic_init
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! places pointer on PETSc data call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
restartRead: if (interface_restartInc > 0) then restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file' print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5' write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName) fileHandle = HDF5_openFile(fileName)
@ -211,7 +209,7 @@ subroutine grid_mech_spectral_basic_init
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead2: if (interface_restartInc > 0) then restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file' print'(a,i0,a)', ' reading more restart data of increment ', interface_restartInc, ' from file'
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg') call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc') call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
@ -377,7 +375,7 @@ subroutine grid_mech_spectral_basic_restartWrite
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
write(6,'(a)') ' writing solver data required for restart to file'; flush(6) print'(a)', ' writing solver data required for restart to file'; flush(6)
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5' write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'w') fileHandle = HDF5_openFile(fileName,'w')
@ -437,12 +435,12 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report ! report
write(6,'(1/,a)') ' ... reporting .............................................................' print'(1/,a)', ' ... reporting .............................................................'
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', & print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')' err_div/divTol, ' (',err_div,' / m, tol = ',divTol,')'
write(6,'(a,f12.2,a,es8.2,a,es9.2,a)') ' error stress BC = ', & print'(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')' err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
write(6,'(/,a)') ' ===========================================================================' print'(/,a)', ' ==========================================================================='
flush(6) flush(6)
end subroutine converged end subroutine converged
@ -475,7 +473,7 @@ subroutine formResidual(in, F, &
! begin of new iteration ! begin of new iteration
newIteration: if (totalIter <= PETScIter) then newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1 totalIter = totalIter + 1
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
if (debugRotation) & if (debugRotation) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.)) ' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))

27
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -123,10 +123,10 @@ subroutine grid_mech_spectral_polarisation_init
character(len=pStringLen) :: & character(len=pStringLen) :: &
fileName fileName
write(6,'(/,a)') ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(6) print'(/,a)', ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(6)
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015' print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006' print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
!------------------------------------------------------------------------------------------------ !------------------------------------------------------------------------------------------------
! debugging options ! debugging options
@ -134,9 +134,8 @@ subroutine grid_mech_spectral_polarisation_init
debugRotation = debug_grid%contains('rotation') debugRotation = debug_grid%contains('rotation')
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! read numerical parameters ! read numerical parameters and do sanity checks
num_grid => config_numerics%get('grid',defaultVal=emptyDict) num_grid => config_numerics%get('grid',defaultVal=emptyDict)
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.) num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal) num%eps_div_atol = num_grid%get_asFloat ('eps_div_atol', defaultVal=1.0e-4_pReal)
num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal) num%eps_div_rtol = num_grid%get_asFloat ('eps_div_rtol', defaultVal=5.0e-4_pReal)
@ -207,7 +206,7 @@ subroutine grid_mech_spectral_polarisation_init
F_tau => FandF_tau(9:17,:,:,:) F_tau => FandF_tau(9:17,:,:,:)
restartRead: if (interface_restartInc > 0) then restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file' print'(/,a,i0,a)', ' reading restart data of increment ', interface_restartInc, ' from file'
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5' write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName) fileHandle = HDF5_openFile(fileName)
@ -236,7 +235,7 @@ subroutine grid_mech_spectral_polarisation_init
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead2: if (interface_restartInc > 0) then restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file' print'(a,i0,a)', ' reading more restart data of increment ', interface_restartInc, ' from file'
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg') call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc') call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
@ -434,7 +433,7 @@ subroutine grid_mech_spectral_polarisation_restartWrite
F => FandF_tau(0: 8,:,:,:) F => FandF_tau(0: 8,:,:,:)
F_tau => FandF_tau(9:17,:,:,:) F_tau => FandF_tau(9:17,:,:,:)
write(6,'(a)') ' writing solver data required for restart to file'; flush(6) print*, 'writing solver data required for restart to file'; flush(6)
write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5' write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'w') fileHandle = HDF5_openFile(fileName,'w')
@ -498,14 +497,14 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report ! report
write(6,'(1/,a)') ' ... reporting .............................................................' print'(1/,a)', ' ... reporting .............................................................'
write(6,'(1/,a,f12.2,a,es8.2,a,es9.2,a)') ' error divergence = ', & print'(1/,a,f12.2,a,es8.2,a,es9.2,a)', ' error divergence = ', &
err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')' err_div/divTol, ' (',err_div, ' / m, tol = ',divTol,')'
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error curl = ', & print '(a,f12.2,a,es8.2,a,es9.2,a)', ' error curl = ', &
err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')' err_curl/curlTol,' (',err_curl,' -, tol = ',curlTol,')'
write(6, '(a,f12.2,a,es8.2,a,es9.2,a)') ' error BC = ', & print '(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC = ', &
err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')' err_BC/BCTol, ' (',err_BC, ' Pa, tol = ',BCTol,')'
write(6,'(/,a)') ' ===========================================================================' print'(/,a)', ' ==========================================================================='
flush(6) flush(6)
end subroutine converged end subroutine converged
@ -558,7 +557,7 @@ subroutine formResidual(in, FandF_tau, &
! begin of new iteration ! begin of new iteration
newIteration: if (totalIter <= PETScIter) then newIteration: if (totalIter <= PETScIter) then
totalIter = totalIter + 1 totalIter = totalIter + 1
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax print'(1x,a,3(a,i0))', trim(incInfo), ' @ Iteration ', num%itmin, '≤',totalIter, '≤', num%itmax
if(debugRotation) & if(debugRotation) &
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') & write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.)) ' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))

30
src/grid/grid_thermal_spectral.f90
View File

@ -23,20 +23,17 @@ module grid_thermal_spectral
implicit none implicit none
private private
!--------------------------------------------------------------------------------------------------
! derived types
type(tSolutionParams) :: params
type :: tNumerics type :: tNumerics
integer :: & integer :: &
itmax !< maximum number of iterations itmax !< maximum number of iterations
real(pReal) :: & real(pReal) :: &
eps_thermal_atol, & !< absolute tolerance for thermal equilibrium eps_thermal_atol, & !< absolute tolerance for thermal equilibrium
eps_thermal_rtol !< relative tolerance for thermal equilibrium eps_thermal_rtol !< relative tolerance for thermal equilibrium
end type tNumerics end type tNumerics
type(tNumerics) :: num type(tNumerics) :: num
type(tSolutionParams) :: params
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! PETSc data ! PETSc data
SNES :: thermal_snes SNES :: thermal_snes
@ -74,13 +71,13 @@ subroutine grid_thermal_spectral_init
class(tNode), pointer :: & class(tNode), pointer :: &
num_grid num_grid
write(6,'(/,a)') ' <<<+- grid_thermal_spectral init -+>>>' print'(/,a)', ' <<<+- grid_thermal_spectral init -+>>>'
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019' print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80' print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! read numerical parameter and do sanity checks ! read numerical parameters and do sanity checks
num_grid => config_numerics%get('grid',defaultVal=emptyDict) num_grid => config_numerics%get('grid',defaultVal=emptyDict)
num%itmax = num_grid%get_asInt ('itmax', defaultVal=250) num%itmax = num_grid%get_asInt ('itmax', defaultVal=250)
num%eps_thermal_atol = num_grid%get_asFloat ('eps_thermal_atol',defaultVal=1.0e-2_pReal) num%eps_thermal_atol = num_grid%get_asFloat ('eps_thermal_atol',defaultVal=1.0e-2_pReal)
@ -94,8 +91,7 @@ subroutine grid_thermal_spectral_init
! set default and user defined options for PETSc ! set default and user defined options for PETSc
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-thermal_snes_type ngmres',ierr) call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-thermal_snes_type ngmres',ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,& call PETScOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
num_grid%get_asString('petsc_options',defaultVal=''),ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -110,7 +106,7 @@ subroutine grid_thermal_spectral_init
DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point DMDA_STENCIL_BOX, & ! Moore (26) neighborhood around central point
grid(1),grid(2),grid(3), & ! global grid grid(1),grid(2),grid(3), & ! global grid
1, 1, worldsize, & 1, 1, worldsize, &
1, 0, & ! #dof (thermal phase field), ghost boundary width (domain overlap) 1, 0, & ! #dof (T field), ghost boundary width (domain overlap)
[grid(1)],[grid(2)],localK, & ! local grid [grid(1)],[grid(2)],localK, & ! local grid
thermal_grid,ierr) ! handle, error thermal_grid,ierr) ! handle, error
CHKERRQ(ierr) CHKERRQ(ierr)
@ -159,8 +155,6 @@ function grid_thermal_spectral_solution(timeinc,timeinc_old) result(solution)
timeinc_old !< increment in time of last increment timeinc_old !< increment in time of last increment
integer :: i, j, k, cell integer :: i, j, k, cell
type(tSolutionState) :: solution type(tSolutionState) :: solution
class(tNode), pointer :: &
num_grid
PetscInt :: devNull PetscInt :: devNull
PetscReal :: T_min, T_max, stagNorm, solnNorm PetscReal :: T_min, T_max, stagNorm, solnNorm
@ -204,10 +198,10 @@ function grid_thermal_spectral_solution(timeinc,timeinc_old) result(solution)
call VecMin(solution_vec,devNull,T_min,ierr); CHKERRQ(ierr) call VecMin(solution_vec,devNull,T_min,ierr); CHKERRQ(ierr)
call VecMax(solution_vec,devNull,T_max,ierr); CHKERRQ(ierr) call VecMax(solution_vec,devNull,T_max,ierr); CHKERRQ(ierr)
if (solution%converged) & if (solution%converged) &
write(6,'(/,a)') ' ... thermal conduction converged ..................................' print'(/,a)', ' ... thermal conduction converged ..................................'
write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',& write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
T_min, T_max, stagNorm T_min, T_max, stagNorm
write(6,'(/,a)') ' ===========================================================================' print'(/,a)', ' ==========================================================================='
flush(6) flush(6)
end function grid_thermal_spectral_solution end function grid_thermal_spectral_solution

14
src/grid/spectral_utilities.f90
View File

@ -208,7 +208,7 @@ subroutine spectral_utilities_init
debugPETSc = debug_grid%contains('petsc') debugPETSc = debug_grid%contains('petsc')
if(debugPETSc) write(6,'(3(/,a),/)') & if(debugPETSc) print'(3(/,a),/)', &
' Initializing PETSc with debug options: ', & ' Initializing PETSc with debug options: ', &
trim(PETScDebug), & trim(PETScDebug), &
' add more using the PETSc_Options keyword in numerics.yaml '; flush(6) ' add more using the PETSc_Options keyword in numerics.yaml '; flush(6)
@ -280,7 +280,7 @@ subroutine spectral_utilities_init
if (pReal /= C_DOUBLE .or. kind(1) /= C_INT) error stop 'C and Fortran datatypes do not match' if (pReal /= C_DOUBLE .or. kind(1) /= C_INT) error stop 'C and Fortran datatypes do not match'
call fftw_set_timelimit(num_grid%get_asFloat('fftw_timelimit',defaultVal=-1.0_pReal)) call fftw_set_timelimit(num_grid%get_asFloat('fftw_timelimit',defaultVal=-1.0_pReal))
if (debugGeneral) write(6,'(/,a)') ' FFTW initialized'; flush(6) print*, 'FFTW initialized'; flush(6)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! MPI allocation ! MPI allocation
@ -506,7 +506,7 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
logical :: err logical :: err
write(6,'(/,a)') ' ... doing gamma convolution ...............................................' print'(/,a)', ' ... doing gamma convolution ...............................................'
flush(6) flush(6)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -576,7 +576,7 @@ real(pReal) function utilities_divergenceRMS()
integer :: i, j, k, ierr integer :: i, j, k, ierr
complex(pReal), dimension(3) :: rescaledGeom complex(pReal), dimension(3) :: rescaledGeom
write(6,'(/,a)') ' ... calculating divergence ................................................' print'(/,a)', ' ... calculating divergence ................................................'
flush(6) flush(6)
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal) rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal)
@ -620,7 +620,7 @@ real(pReal) function utilities_curlRMS()
complex(pReal), dimension(3,3) :: curl_fourier complex(pReal), dimension(3,3) :: curl_fourier
complex(pReal), dimension(3) :: rescaledGeom complex(pReal), dimension(3) :: rescaledGeom
write(6,'(/,a)') ' ... calculating curl ......................................................' print'(/,a)', ' ... calculating curl ......................................................'
flush(6) flush(6)
rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal) rescaledGeom = cmplx(geomSize/scaledGeomSize,0.0_pReal)
@ -822,7 +822,7 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
real(pReal) :: dPdF_norm_max, dPdF_norm_min real(pReal) :: dPdF_norm_max, dPdF_norm_min
real(pReal), dimension(2) :: valueAndRank !< pair of min/max norm of dPdF to synchronize min/max of dPdF real(pReal), dimension(2) :: valueAndRank !< pair of min/max norm of dPdF to synchronize min/max of dPdF
write(6,'(/,a)') ' ... evaluating constitutive response ......................................' print'(/,a)', ' ... evaluating constitutive response ......................................'
flush(6) flush(6)
materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field materialpoint_F = reshape(F,[3,3,1,product(grid(1:2))*grid3]) ! set materialpoint target F to estimated field
@ -1095,7 +1095,7 @@ subroutine utilities_saveReferenceStiffness
fileUnit,ierr fileUnit,ierr
if (worldrank == 0) then if (worldrank == 0) then
write(6,'(a)') ' writing reference stiffness data required for restart to file'; flush(6) print'(a)', ' writing reference stiffness data required for restart to file'; flush(6)
open(newunit=fileUnit, file=getSolverJobName()//'.C_ref',& open(newunit=fileUnit, file=getSolverJobName()//'.C_ref',&
status='replace',access='stream',action='write',iostat=ierr) status='replace',access='stream',action='write',iostat=ierr)
if(ierr /=0) call IO_error(100,ext_msg='could not open file '//getSolverJobName()//'.C_ref') if(ierr /=0) call IO_error(100,ext_msg='could not open file '//getSolverJobName()//'.C_ref')

2
src/marc/discretization_marc.f90
View File

@ -70,7 +70,7 @@ subroutine discretization_marc_init
class(tNode), pointer :: & class(tNode), pointer :: &
num_commercialFEM num_commercialFEM
write(6,'(/,a)') ' <<<+- discretization_marc init -+>>>'; flush(6) print'(/,a)', ' <<<+- discretization_marc init -+>>>'; flush(6)
!--------------------------------------------------------------------------------- !---------------------------------------------------------------------------------
! read debug parameters ! read debug parameters

30
src/mesh/DAMASK_mesh.f90
View File

@ -78,7 +78,7 @@ program DAMASK_mesh
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init DAMASK (all modules) ! init DAMASK (all modules)
call CPFEM_initAll call CPFEM_initAll
write(6,'(/,a)') ' <<<+- DAMASK_FEM init -+>>>'; flush(6) print'(/,a)', ' <<<+- DAMASK_mesh init -+>>>'; flush(6)
!--------------------------------------------------------------------- !---------------------------------------------------------------------
! reading field information from numerics file and do sanity checks ! reading field information from numerics file and do sanity checks
@ -208,30 +208,30 @@ program DAMASK_mesh
errorID = 0 errorID = 0
checkLoadcases: do currentLoadCase = 1, size(loadCases) checkLoadcases: do currentLoadCase = 1, size(loadCases)
write (loadcase_string, '(i0)' ) currentLoadCase write (loadcase_string, '(i0)' ) currentLoadCase
write(6,'(1x,a,i6)') 'load case: ', currentLoadCase print'(a,i0)', ' load case: ', currentLoadCase
if (.not. loadCases(currentLoadCase)%followFormerTrajectory) & if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
write(6,'(2x,a)') 'drop guessing along trajectory' print'(a)', ' drop guessing along trajectory'
do field = 1, nActiveFields do field = 1, nActiveFields
select case (loadCases(currentLoadCase)%fieldBC(field)%ID) select case (loadCases(currentLoadCase)%fieldBC(field)%ID)
case(FIELD_MECH_ID) case(FIELD_MECH_ID)
write(6,'(2x,a)') 'Field '//trim(FIELD_MECH_label) print'(a)', ' Field '//trim(FIELD_MECH_label)
end select end select
do faceSet = 1, mesh_Nboundaries do faceSet = 1, mesh_Nboundaries
do component = 1, loadCases(currentLoadCase)%fieldBC(field)%nComponents do component = 1, loadCases(currentLoadCase)%fieldBC(field)%nComponents
if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask(faceSet)) & if (loadCases(currentLoadCase)%fieldBC(field)%componentBC(component)%Mask(faceSet)) &
write(6,'(4x,a,i2,a,i2,a,f12.7)') 'Face ', mesh_boundaries(faceSet), & print'(a,i2,a,i2,a,f12.7)', ' Face ', mesh_boundaries(faceSet), &
' Component ', component, & ' Component ', component, &
' Value ', loadCases(currentLoadCase)%fieldBC(field)% & ' Value ', loadCases(currentLoadCase)%fieldBC(field)% &
componentBC(component)%Value(faceSet) componentBC(component)%Value(faceSet)
enddo enddo
enddo enddo
enddo enddo
write(6,'(2x,a,f12.6)') 'time: ', loadCases(currentLoadCase)%time print'(a,f12.6)', ' time: ', loadCases(currentLoadCase)%time
if (loadCases(currentLoadCase)%incs < 1) errorID = 835 ! non-positive incs count if (loadCases(currentLoadCase)%incs < 1) errorID = 835 ! non-positive incs count
write(6,'(2x,a,i5)') 'increments: ', loadCases(currentLoadCase)%incs print'(a,i5)', ' increments: ', loadCases(currentLoadCase)%incs
if (loadCases(currentLoadCase)%outputfrequency < 1) errorID = 836 ! non-positive result frequency if (loadCases(currentLoadCase)%outputfrequency < 1) errorID = 836 ! non-positive result frequency
write(6,'(2x,a,i5)') 'output frequency: ', & print'(a,i5)', ' output frequency: ', &
loadCases(currentLoadCase)%outputfrequency loadCases(currentLoadCase)%outputfrequency
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
enddo checkLoadcases enddo checkLoadcases
@ -290,8 +290,8 @@ program DAMASK_mesh
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report begin of new step ! report begin of new step
write(6,'(/,a)') ' ###########################################################################' print'(/,a)', ' ###########################################################################'
write(6,'(1x,a,es12.5,6(a,i0))')& print'(1x,a,es12.5,6(a,i0))',&
'Time', time, & 'Time', time, &
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,& 's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
'-', stepFraction, '/', subStepFactor**cutBackLevel,& '-', stepFraction, '/', subStepFactor**cutBackLevel,&
@ -338,7 +338,7 @@ program DAMASK_mesh
cutBack = .False. cutBack = .False.
if(.not. all(solres(:)%converged .and. solres(:)%stagConverged)) then ! no solution found if(.not. all(solres(:)%converged .and. solres(:)%stagConverged)) then ! no solution found
if (cutBackLevel < maxCutBack) then ! do cut back if (cutBackLevel < maxCutBack) then ! do cut back
write(6,'(/,a)') ' cut back detected' print'(/,a)', ' cut back detected'
cutBack = .True. cutBack = .True.
stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1 cutBackLevel = cutBackLevel + 1
@ -360,13 +360,13 @@ program DAMASK_mesh
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
if (all(solres(:)%converged)) then if (all(solres(:)%converged)) then
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' converged' print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' converged'
else else
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' NOT converged' print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6) endif; flush(6)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
write(6,'(1/,a)') ' ... writing results to file ......................................' print'(/,a)', ' ... writing results to file ......................................'
call CPFEM_results(totalIncsCounter,time) call CPFEM_results(totalIncsCounter,time)
endif endif
@ -378,7 +378,7 @@ program DAMASK_mesh
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report summary of whole calculation ! report summary of whole calculation
write(6,'(/,a)') ' ###########################################################################' print'(/,a)', ' ###########################################################################'
if (worldrank == 0) close(statUnit) if (worldrank == 0) close(statUnit)
call quit(0) ! no complains ;) call quit(0) ! no complains ;)

2
src/mesh/FEM_quadrature.f90
View File

@ -37,7 +37,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine FEM_quadrature_init subroutine FEM_quadrature_init
write(6,'(/,a)') ' <<<+- FEM_quadrature init -+>>>'; flush(6) print'(/,a)', ' <<<+- FEM_quadrature init -+>>>'; flush(6)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! 2D linear ! 2D linear

6
src/mesh/FEM_utilities.f90
View File

@ -110,7 +110,7 @@ subroutine FEM_utilities_init
PetscErrorCode :: ierr PetscErrorCode :: ierr
write(6,'(/,a)') ' <<<+- FEM_utilities init -+>>>' print'(/,a)', ' <<<+- FEM_utilities init -+>>>'
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict) num_mesh => config_numerics%get('mesh',defaultVal=emptyDict)
structOrder = num_mesh%get_asInt('structOrder', defaultVal = 2) structOrder = num_mesh%get_asInt('structOrder', defaultVal = 2)
@ -118,7 +118,7 @@ subroutine FEM_utilities_init
debug_mesh => config_debug%get('mesh',defaultVal=emptyList) debug_mesh => config_debug%get('mesh',defaultVal=emptyList)
debugPETSc = debug_mesh%contains('petsc') debugPETSc = debug_mesh%contains('petsc')
if(debugPETSc) write(6,'(3(/,a),/)') & if(debugPETSc) print'(3(/,a),/)', &
' Initializing PETSc with debug options: ', & ' Initializing PETSc with debug options: ', &
trim(PETScDebug), & trim(PETScDebug), &
' add more using the PETSc_Options keyword in numerics.yaml ' ' add more using the PETSc_Options keyword in numerics.yaml '
@ -158,7 +158,7 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
PetscErrorCode :: ierr PetscErrorCode :: ierr
write(6,'(/,a)') ' ... evaluating constitutive response ......................................' print'(/,a)', ' ... evaluating constitutive response ......................................'
call materialpoint_stressAndItsTangent(.true.,timeinc) ! calculate P field call materialpoint_stressAndItsTangent(.true.,timeinc) ! calculate P field

2
src/mesh/discretization_mesh.f90
View File

@ -83,7 +83,7 @@ subroutine discretization_mesh_init(restart)
num_mesh num_mesh
integer :: integrationOrder !< order of quadrature rule required integer :: integrationOrder !< order of quadrature rule required
write(6,'(/,a)') ' <<<+- discretization_mesh init -+>>>' print'(/,a)', ' <<<+- discretization_mesh init -+>>>'
!-------------------------------------------------------------------------------- !--------------------------------------------------------------------------------
! read numerics parameter ! read numerics parameter

6
src/mesh/mesh_mech_FEM.f90
View File

@ -110,7 +110,7 @@ subroutine FEM_mech_init(fieldBC)
class(tNode), pointer :: & class(tNode), pointer :: &
num_mesh num_mesh
write(6,'(/,a)') ' <<<+- FEM_mech init -+>>>'; flush(6) print'(/,a)', ' <<<+- FEM_mech init -+>>>'; flush(6)
!----------------------------------------------------------------------------- !-----------------------------------------------------------------------------
! read numerical parametes and do sanity checks ! read numerical parametes and do sanity checks
@ -318,7 +318,7 @@ type(tSolutionState) function FEM_mech_solution( &
CHKERRQ(ierr) CHKERRQ(ierr)
endif endif
write(6,'(/,a)') ' ===========================================================================' print'(/,a)', ' ==========================================================================='
flush(6) flush(6)
end function FEM_mech_solution end function FEM_mech_solution
@ -679,7 +679,7 @@ subroutine FEM_mech_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dumm
call SNESConvergedDefault(snes_local,PETScIter,xnorm,snorm,fnorm/divTol,reason,dummy,ierr) call SNESConvergedDefault(snes_local,PETScIter,xnorm,snorm,fnorm/divTol,reason,dummy,ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
if (terminallyIll) reason = SNES_DIVERGED_FUNCTION_DOMAIN if (terminallyIll) reason = SNES_DIVERGED_FUNCTION_DOMAIN
write(6,'(1/,1x,a,a,i0,a,i0,f0.3)') trim(incInfo), & print'(/,1x,a,a,i0,a,i0,f0.3)', trim(incInfo), &
' @ Iteration ',PETScIter,' mechanical residual norm = ', & ' @ Iteration ',PETScIter,' mechanical residual norm = ', &
int(fnorm/divTol),fnorm/divTol-int(fnorm/divTol) int(fnorm/divTol),fnorm/divTol-int(fnorm/divTol)
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',& write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&